SCHEMBL978072

SCHEMBL978072

CC(C)c1ccc(N(N)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
CYP2D6 P10635 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
USP5 P45974 1/20 0.42
KIF11 P52732 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TYR P14679 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8556395 0.84 ALDH1A1 (0.46) CYP2C9CYP2D6HIF1AKDM4EMAPK1
SCHEMBL11512104 0.82 NPSR1 (0.42) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL30545013 0.79 CYP2C9 (0.41) CYP2C9CYP2D6HIF1AKDM4EMAPK1
SCHEMBL11625126 0.78 ALDH1A1 (0.51) CYP2C9CYP2D6HIF1AKDM4EMAPK1
SCHEMBL3953896 0.77 ALOX15 (0.44) CYP2C9CYP2D6KDM4ESMN1; SMN2LMNA
SCHEMBL11319421 0.77 ALDH1A1 (0.44) SMN1; SMN2LMNAALDH1A1GAA
SCHEMBL11674184 0.77 CYP2C9 (0.45) CYP2C9CYP2D6HIF1AKDM4EUSP5
SCHEMBL978542 0.75 CYP2C9 (0.41) CYP2C9CYP2D6HIF1AKDM4EMAPK1
SCHEMBL3962970 0.75 ALDH1A1 (0.49) CYP2C9CYP2D6HIF1AKDM4EMAPK1
SCHEMBL4103979 0.73 NPSR1 (0.56) SMN1; SMN2ALDH1A1HTTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 CYP2C9 2390/4885CYP2D6 2663/4885HIF1A 2228/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.